api/gmxapi/include/gmxapi/md/mdsignals.h

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  35
  36 #ifndef GMXAPI_MDSIGNALS_H
  37 #define GMXAPI_MDSIGNALS_H
  38
  39 /*!
  40  * \file
  41  * \brief Temporary infrastructure for signalling MD simulations.
  42  *
  43  * These interfaces are not considered to be part of the gmxapi spec, but will exist in 0.0.6 and
  44  * possibly 0.0.7 until more abstract data flow is available to MD plugin developers, at which point
  45  * any remaining functionality here will be moved to private implementation details.
  46  *
  47  * \ingroup gmxapi_md
  48  */
  49
  50 #include <memory>
  51
  52 namespace gmxapi
  53 {
  54
  55 /*!
  56  * \brief Internal details of gmxapi MD functionality
  57  */
  58 namespace md
  59 {
  60
  61 /*!
  62  * \brief Symbolic signal slots for MD signalling.
  63  *
  64  * \see getMdrunnerSignal()
  65  */
  66 enum class signals
  67 {
  68     STOP
  69 };
  70
  71 } // end namespace md
  72
  73
  74 class SessionResources; // reference gmxapi/session/resources.h
  75
  76 /*!
  77  * \brief Proxy for signalling function objects.
  78  *
  79  * Objects of this type are simple callables that issue a specific signal.
  80  *
  81  * \todo This class and its implementations should be replaced with a std::function.
  82  *
  83  * \ingroup gmxapi_md
  84  */
  85 class Signal
  86 {
  87 public:
  88     //! \internal
  89     class SignalImpl;
  90
  91     /*!
  92      * \brief Construct by taking ownership of an implementation object.
  93      *
  94      * \param signal
  95      */
  96     explicit Signal(std::unique_ptr<SignalImpl> signal);
  97
  98     /*!
  99      * \brief Object is trivially moveable.
 100      *
 101      * \{
 102      */
 103     Signal(Signal&& /*unused*/) noexcept;
 104     Signal& operator=(Signal&& /*unused*/) noexcept;
 105     //! \}
 106
 107     //! \cond
 108     ~Signal();
 109     //! \endcond
 110
 111     /*!
 112      * \brief Signal interface is a function object that issues a signal when called.
 113      *
 114      * \todo replace with more concise named type based on std::function.
 115      */
 116     void operator()();
 117
 118 private:
 119     //! Wrapped signaller.
 120     std::unique_ptr<SignalImpl> impl_;
 121 };
 122
 123 /*!
 124  * \brief Get a function object that issues a signal to the currently active MD runner.
 125  *
 126  * For use during execution of extension code. E.g. within a MD simulation plugin
 127  * during an MD step.
 128  *
 129  * \param resources non-null pointer to the active Session resources.
 130  * \param signal type of signal the client would like to issue.
 131  * \return Callable function object handle to issue a stop signal.
 132  *
 133  * \throws gmxapi::NotImplementedError for unknown values of signal.
 134  * \throws gmxapi::UsageError for invalid resources argument.
 135  *
 136  * \ingroup gmxapi_md
 137  */
 138 Signal getMdrunnerSignal(SessionResources* resources, md::signals signal);
 139
 140 } // end namespace gmxapi
 141
 142 #endif // GMXAPI_MDSIGNALS_H